2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylpiperidin-1-yl)sulfonyl-isoquinolin-1-one Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-4-[(4-methyl-1-piperidyl)sulfonyl]isoquinolin-1-one CAS Name: 2-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-1-isoquinolinone IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylpiperidin-1-yl)sulfonylisoquinolin-1-one Traditional Name: 2-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-4-(4-methylpiperidino)sulfonyl-isocarbostyril Formula: C24H33N3O4S MolecularWeight: 459.60152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CC(CC(C4)C)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)N4CC(CC(C4)C)C

InChI

InChI=1S/C24H33N3O4S/c1-17-8-10-27(11-9-17)32(30,31)22-15-26(24(29)21-7-5-4-6-20(21)22)16-23(28)25-13-18(2)12-19(3)14-25/h4-7,15,17-19H,8-14,16H2,1-3H3